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Formula of Perphenazine (C21H26ClN3OS)

Identification of Perphenazine Chemical Compound

2D chemical structure image of perphenazine
Chemical Formula C21H26ClN3OS
Molecular Weight 403.96834 g/mol
IUPAC Name 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol
SMILES String OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4
InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
InChIKey RGCVKNLCSQQDEP-UHFFFAOYSA-N

Chemical Formula Description

The perphenazine molecule contains a total of 53 atom(s). There are 26 Hydrogen atom(s), 21 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s). A chemical formula of perphenazine can therefore be written as:

C21H26ClN3OS

The chemical formula of perphenazine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of perphenazine
Ball-and-stick model of perphenazine

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Additional Information for Identifying Perphenazine Molecule

  • InChI (IUPAC International Chemical Identifier) information of perphenazine

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of perphenazine is:

    InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

    It can provide a standard way to encode the molecular information of perphenazine to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of perphenazine is:

    InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for perphenazine, but it needs to be linked to the full InChI to get back to the original structure of the perphenazine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of perphenazine

    The perphenazine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of perphenazine including the registry numbers is given below, if available:

    • C-21783
    • EN300-120640
    • Trilafonreg
    • Fentazinreg
    • Decentanreg
    • Perphenazine for system suitability, European Pharmacopoeia (EP) Reference Standard
    • 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol #
    • 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]-piperazin-1-yl]ethanol
    • 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
    • Perphenazine, United States Pharmacopeia (USP) Reference Standard
    • 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol
    • Perphenazine, European Pharmacopoeia (EP) Reference Standard
    • Z1945707494
    • W-105390
    • SR-01000000137-2
    • A831863
    • J10210
    • P1970
    • PMS Perphenazine Concentrate Liq 3.2mg/ml
    • SBI-0050904.P003
    • MRF-0000509
    • MFCD00056798
    • CCG-39060
    • BDBM50130273
    • 1-Piperazineethanol, trihydrochloride
    • HY-A0077
    • Pharmakon1600-01503934
    • HMS3370O14
    • HMS3262J22
    • HMS3259C09
    • HMS2232D21
    • HMS2095I12
    • Perphenazine (JP17/USP/INN)
    • Perphenazine (JP15/USP/INN)
    • component of Triavil (Salt/Mix)
    • GTPL209
    • D010546
    • PMS Perphenazine Tab 16mg
    • PMS Perphenazine Tab 8mg
    • PMS Perphenazine Tab 4mg
    • PMS Perphenazine Tab 2mg
    • Trilafon Conc 16mg/5ml
    • Perphenazine 8 Tab 8mg
    • Perphenazine 2 Tab 2mg
    • FTA7XXY4EZ
    • 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, trihydrochloride
    • Trilafon Syr 2mg/5ml
    • nchembio873-comp26
    • Perphenazine fendizoate
    • Trilafon Inj 5mg/ml
    • Perphenazine 16 Tab
    • Perphenazine Tab 4mg
    • Perphenazine Tab 2mg
    • Etrafon (Salt/Mix)
    • Phenazine 16 Tab
    • Perphenazine [USP:INN:BAN:JAN]
    • Trilafon Tab 8mg
    • Trilafon Tab 4mg
    • Trilafon Tab 2mg
    • .gamma.-(4-(.beta.-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
    • Phenazine 8 Tab
    • Phenazine 4 Tab
    • Phenazine 2 Tab
    • Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
    • 2-{4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazinyl}ethan-1-ol
    • perphanzine
    • 2-{4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol
    • .gamma.-[4-(.beta.-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine
    • 2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine
    • SR-01000000137-4
    • I06-1508
    • BRD-K10995081-001-05-5
    • L000919
    • P 6402
    • D00503
    • 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol
    • Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-
    • 1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine
    • 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-
    • 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]
    • SCH-3940
    • 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine
    • 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine
    • 2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine
    • HMS2093M15
    • HMS1922M14
    • HMS1568I12
    • 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina
    • 1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-
    • HMS502L22
    • SPECTRUM1503934
    • BIDD:GT0150
    • 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol
    • CAS-58-39-9
    • 4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol
    • 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine
    • 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
    • 1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
    • 1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-
    • Lopac-P-6402
    • Perphenazine maleate
    • Perphenazine [Trilafon]
    • gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
    • 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine
    • 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
    • 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol
    • Perphenazine [INN:BAN:JAN]
    • PZC
    • Apo-Perphenazine
    • 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol
    • Perphenazinum [INN-Latin]
    • Perfenazina [INN-Spanish]
    • C21H26ClN3OS
    • Perfenazina [Italian]
    • Perfenil
    • Sch 3940
    • Perphenazinum
    • F-mon
    • Chlorperphenazine
    • Triphenot
    • Trifaron
    • Tranquisan
    • Perfenazina
    • Chlorpiprazine
    • Trilifan
    • Emesinal
    • Thilatazin
    • Ethaperazine
    • Etaperazin
    • Perphenan
    • Etaperazine
    • Decentan
    • Fentazin
    • Perfenazine
    • Perphenazin
    • Trilafon
    • 58-39-9
    • perphenazine
    • BAS 00139131

Perphenazine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of perphenazine?
C21H26ClN3OS
How many atoms and what are they in the perphenazine structure?
53 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what are they in the perphenazine structure?
56 bond(s) - 30 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 sulfide(s)
What’s the molecular weight of perphenazine?
403.96834 g/mol
What’s the SMILES string of perphenazine?
OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4
What’s the InChI of perphenazine?
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
What’s the InChIKey of perphenazine?
RGCVKNLCSQQDEP-UHFFFAOYSA-N

259 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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